CID 12370445

2411591-27-8

Structural Information

Molecular Formula

C₁₀H₁₃NO

SMILES

COC1=CC2=C(C=C1)[C@@H](CC2)N

InChI

InChI=1S/C10H13NO/c1-12-8-3-4-9-7(6-8)2-5-10(9)11/h3-4,6,10H,2,5,11H2,1H3/t10-/m1/s1

InChIKey

BIYHMCGHGLLTIN-SNVBAGLBSA-N

Compound name

(1R)-5-methoxy-2,3-dihydro-1H-inden-1-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 7
Patents: 163.09972 Da
Monoisotopic Mass: 1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	164.106996	133.1
[M+Na]+	186.088938	141.5
[M-H]-	162.092444	137.5
[M+NH4]+	181.133543	156.6
[M+K]+	202.062878	138.9
[M+H-H2O]+	146.096980	127.9
[M+HCOO]-	208.097921	157.2
[M+CH3COO]-	222.113571	180.5
[M+Na-2H]-	184.074386	138.6
[M]+	163.09917142	132.0
[M]-	163.10026858	132.0

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.